SCHEMBL6630673

SCHEMBL6630673

C=Cc1ccc2cccnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
HTT P42858 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CASP1 P29466 2/20 0.53
CASP7 P55210 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
NR4A2 P43354 1/20 0.53
NPC1 O15118 4/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 3/20 0.44
ATM Q13315 2/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CYP3A4 P08684 3/20 0.42
POLB P06746 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31497313 0.86 NPC1 (0.50) ALDH1A1HTTMEN1KMT2ACASP1
SCHEMBL30718798 0.85 NPC1 (0.60) ALDH1A1HTTMEN1KMT2ACASP1
SCHEMBL359176 0.85 NPC1 (0.60) ALDH1A1HTTMEN1KMT2ACASP1
SCHEMBL5620728 0.82 HTT (0.60) ALDH1A1HTTMEN1KMT2ACASP1
SCHEMBL6656717 0.81 ALDH1A1 (0.50) ALDH1A1HTTMEN1KMT2ACASP1
SCHEMBL7106503 0.81 ALDH1A1 (0.50) ALDH1A1HTTMEN1KMT2ACASP1
SCHEMBL29955934 0.81 ALDH1A1 (0.53) ALDH1A1HTTMEN1KMT2ACASP1
SCHEMBL27572181 0.81 ALDH1A1 (0.53) ALDH1A1HTTMEN1KMT2ACASP1
SCHEMBL8152450 0.81 ALDH1A1 (0.53) ALDH1A1HTTMEN1KMT2ACASP1
SCHEMBL401692 0.81 ALDH1A1 (0.53) ALDH1A1HTTMEN1KMT2ACASP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP claimed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 WO claimed
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 US disclosed
US-20230365553-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-11-16 US disclosed
EP-3464270-B1 HETEROCYCLIC INHIBITORS OF CBP/EP300 AND THEIR USE IN THE TREATMENT OF CANCER GENENTECH INC (US) 2022-02-23 EP disclosed
US-20220024919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2022-01-27 US disclosed
US-20220024906-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2022-01-27 US disclosed
WO-2021138419-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC, (US) 2021-07-08 WO disclosed
US-10947206-B2 cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2021-03-16 US disclosed
EP-3633380-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 Taiho Pharmaceutical Co., Ltd. (JP) 2020-04-08 EP disclosed
EP-3252052-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT Toray Industries, Inc. (JP) 2017-12-06 EP disclosed
WO-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
WO-2007104485-A2 SUBSTITUTED IMIDAZO[2,1-B]THIAZOLE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-09-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10947206-B2 cGAS antagonist compounds CGAS, STING1, GLS2 ALDH1A1 3908/4885HTT 3575/4885MEN1 2139/4885
US-20220024906-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4654/4885HTT 2427/4885MEN1 2199/4885
US-20220024919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4654/4885HTT 2427/4885MEN1 2199/4885
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ERBB2, EGFR, ERBB3 ALDH1A1 2594/4885HTT 2235/4885MEN1 3234/4885
US-20230365553-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4654/4885HTT 2427/4885MEN1 2199/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.